Geometry & MOs

Info

ID:	49458
PubChem CID:	11533050
Reduced:	O2N5H27C29 (1)
Stoich.:	A2B5C27D29 (1)
Weight, g/mol:	477.264094
ΔH_f, kcal/mol:	65.82
Dipole, Da:	3.16
IP(EA), eV:	-9.39(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[2-(4-tert-butylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]piperazin-1-yl]methyl]quinoxaline

Drug info:

PubChemData

Smile

C1CC(C1)OC2=NC=C(C=C2)C(C3=CC=C(C=C3)C#N)N4CC[C@H](C4)NC(=O)C5=CC=C(C=C5)C#N

DOS

IR

Vibrations